C-type shock modelling -- the effect of new H$_2$-H collisional rate coefficients

Autor: Nesterenok, A. V., Bossion, D., Scribano, Y., Lique, F.

We consider collisional excitation of H$_2$ molecules in C-type shocks propagating in dense molecular clouds. New data on collisional rate coefficients for (de-)excitation of H$_2$ molecule in collisions with H atoms and new H$_2$ dissociation rates

Externí odkaz: http://arxiv.org/abs/1909.07738

Erratum: "Non-adiabatic mapping dynamics in the phase space of the SU(N) Lie group" [J. Chem. Phys. 157, 084105 (2022)].

Autor: Bossion D; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Ying W; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Chowdhury SN; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA.; Department of Chemistry, Duke University, 3236 French Science Center, 124 Science Drive, Durham, North Carolina 27708, USA., Huo P; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA.; The Institute of Optics, Hajim School of Engineering, University of Rochester, Rochester, New York 14627, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2023 Jul 14; Vol. 159 (2).

Non-adiabatic mapping dynamics in the phase space of the SU(N) Lie group.

Autor: Bossion D; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Ying W; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Chowdhury SN; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Huo P; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2022 Aug 28; Vol. 157 (8), pp. 084105.

Non-adiabatic ring polymer molecular dynamics with spin mapping variables.

Autor: Bossion D; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Chowdhury SN; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA., Huo P; Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2021 May 14; Vol. 154 (18), pp. 184106.

Theoretical investigation of the H + HD → D + H 2 chemical reaction for astrophysical applications: A state-to-state quasi-classical study.

Autor: Bossion D; Laboratoire Univers et Particules de Montpellier, Université de Montpellier, UMR-CNRS 5299, 34095 Montpellier, France., Ndengué S; ICTP-East African Institute for Fundamental Research, University of Rwanda, Kigali, Rwanda., Meyer HD; Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany., Gatti F; Institut de Sciences Moleculaires d'Orsay, UMR-CNRS 8214, Université Paris-Saclay, 91405 Orsay, France., Scribano Y; Laboratoire Univers et Particules de Montpellier, Université de Montpellier, UMR-CNRS 5299, 34095 Montpellier, France.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2020 Aug 28; Vol. 153 (8), pp. 081102.